4-(Cyclopropylmethoxy)phenylboronic acid

Base Information

• Chemical Name: 4-(Cyclopropylmethoxy)phenylboronic acid
• CAS No.: 411229-67-9
• Molecular Formula: C10H13BO3
• Molecular Weight: 192.022
• Hs Code.: 2931900090
• European Community (EC) Number: 694-590-2
• DSSTox Substance ID: DTXSID60400744
• Wikidata: Q72460992
• Mol file: 411229-67-9.mol

Synonyms:411229-67-9;4-(Cyclopropylmethoxy)phenylboronic acid;(4-(Cyclopropylmethoxy)phenyl)boronic acid;4-(Cyclopropylmethoxy)benzeneboronic acid;[4-(cyclopropylmethoxy)phenyl]boronic Acid;Boronic acid,B-[4-(cyclopropylmethoxy)phenyl]-;[4-(cyclopropylmethoxy)phenyl]boranediol;SCHEMBL1927291;DTXSID60400744;AYJVDOMUBHORKK-UHFFFAOYSA-N;AMY29943;MFCD04039017;AKOS004116259;AB17261;PS-9452;(4-(Cyclopropylmethoxy)phenyl)boronicacid;CS-0175294;FT-0646204;EN300-49610;F87634;A873135

Chemical Property of 4-(Cyclopropylmethoxy)phenylboronic acid

Chemical Property:

• Vapor Pressure: 6.52E-06mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 363.2 °C at 760 mmHg
• Flash Point: 173.5 °C
• PSA: 49.69000
• Density: 1.19 g/cm³
• LogP: 0.15520
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.0957744
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

4-(Cyclopropylmethoxy)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)OCC2CC2)(O)O

Technology Process of 4-(Cyclopropylmethoxy)phenylboronic acid

There total 2 articles about 4-(Cyclopropylmethoxy)phenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C12H17BO3 → [4-(cyclopropylmethoxy)phenyl]boronic acid (411229-67-9)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 20 ℃; for 0.5h;

Reference yield:

1-(cyclopropylmethoxy)-4-iodobenzene (411229-57-7) + Trimethyl borate (121-43-7,63156-11-6) → [4-(cyclopropylmethoxy)phenyl]boronic acid (411229-67-9)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane; toluene;

Reference yield: 79.0%

2,4-Dichloro-6-methoxy-1,3,5-triazine (3638-04-8) + [4-(cyclopropylmethoxy)phenyl]boronic acid (411229-67-9) → 2-chloro-4-(4-cyclopropylmethoxyphenyl)-6-methoxy-1,3,5-triazine

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In toluene; at 100 ℃; for 2h; Inert atmosphere;

upstream raw materials:

1-(cyclopropylmethoxy)-4-iodobenzene

Trimethyl borate

Downstream raw materials:

methyl N-{6-[4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl}-D-phenylalaninate

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